UCSF

ZINC13844077

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.55 7.47 -13.71 2 6 0 84 402.248 4
Ref Reference (pH 7) 4.55 7.3 -18.81 2 6 0 84 402.248 4
Hi High (pH 8-9.5) 4.55 8.31 -60.54 1 6 -1 87 401.24 4
Hi High (pH 8-9.5) 4.55 8.48 -56.35 1 6 -1 87 401.24 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )